{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1376999 -1.3220988 2.2913262 ] [ -0.7303468 1.3246403 -0.3772374 ] [ -4.4054647 1.7613046 -2.8043565 ] [ -0.3533437 2.3302446 1.4516508 ] [ 4.2796957 -2.4297554 -1.7844438 ] [ -0.0458338 -0.8384402 0.3200054 ] [ 1.1175935 -0.8258951 0.9030552 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.206195604664979e-10 -2.118235787747735e-09 3.671109268266504e-09 ] [ -1.170144568036093e-09 2.122307719629498e-09 -6.044009427713779e-10 ] [ -7.058332546099686e-09 2.821921052227496e-09 -4.493074420688516e-09 ] [ -5.661190152469689e-10 3.733463418865448e-09 2.325800973325616e-09 ] [ 6.856828394678292e-09 -3.892897296142552e-09 -2.858994137491511e-09 ] [ -7.343384280242305e-11 -1.343329286378876e-09 5.127051704097524e-10 ] [ 1.790582177258045e-09 -1.323229820453278e-09 1.446853928731868e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.375070158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.021398836459567e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7591821 2.8101799 3.2920473 ] [ 2.9238994 5.5215762 1.1672817 ] [ 0.9749322 4.1442593 1.4224744 ] [ 1.9682925 5.2719245 3.3857376 ] [ 3.1030936 2.9206658 1.2318915 ] [ 4.9874751 4.3305395 1.4473589 ] [ 3.9175242 3.8313878 3.5357617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7591821e-10 2.8101799e-10 3.2920473e-10 ] [ 2.9238994e-10 5.5215762e-10 1.1672817e-10 ] [ 9.749322e-11 4.1442593e-10 1.4224744e-10 ] [ 1.9682925e-10 5.2719245e-10 3.3857376e-10 ] [ 3.1030936e-10 2.9206658e-10 1.2318915e-10 ] [ 4.9874751e-10 4.3305395e-10 1.4473589e-10 ] [ 3.9175242e-10 3.8313878e-10 3.5357617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.54e-05 -1.63e-05 3.78e-05 ] [ 4.16e-05 -2.53e-05 1.26e-05 ] [ -4.31e-05 7.4e-06 -9.4e-06 ] [ 1.45e-05 1.3e-06 -1.82e-05 ] [ 1.8e-05 3.79e-05 -4.5e-05 ] [ -5.45e-05 -2.59e-05 4.07e-05 ] [ -3.19e-05 2.1e-05 -1.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.876058479231999e-14 -2.611547891904e-14 6.056227626623999e-14 ] [ 6.665054742528e-14 -4.053506850624e-14 2.018742542208e-14 ] [ -6.905381235648e-14 1.185610699392e-14 -1.506046023552e-14 ] [ 2.32315610016e-14 2.08282960704e-15 -2.915961449856e-14 ] [ 2.88391791744e-14 6.072249392832e-14 -7.209794793600001e-14 ] [ -8.731862583360001e-14 -4.149637447872e-14 6.520858846656e-14 ] [ -5.110943420352001e-14 3.36457090368e-14 -2.980048514688e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }